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5256-79-1 molecular structure
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octaphenylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

ChemBase ID: 144756
Molecular Formular: C48H40O12Si8
Molecular Mass: 1033.508
Monoisotopic Mass: 1032.06738898
SMILES and InChIs

SMILES:
c1ccc(cc1)[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)[Si]12O[Si]3(O[Si]4(O[Si](O2)(O[Si]2(O[Si](O1)(O[Si](O3)(O[Si](O4)(O2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C48H40O12Si8/c1-9-25-41(26-10-1)61-49-62(42-27-11-2-12-28-42)52-65(45-33-17-5-18-34-45)54-63(50-61,43-29-13-3-14-30-43)56-67(47-37-21-7-22-38-47)57-64(51-61,44-31-15-4-16-32-44)55-66(53-62,46-35-19-6-20-36-46)59-68(58-65,60-67)48-39-23-8-24-40-48/h1-40H
InChIKey:
KBXJHRABGYYAFC-UHFFFAOYSA-N

Cite this record

CBID:144756 http://www.chembase.cn/molecule-144756.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octaphenylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
IUPAC Traditional name
octaphenylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
Synonyms
1,3,5,7,9,11,13,15-Octaphenylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
Octaphenyl-POSS®
Octaphenylsilsesquioxane
PSS-Octaphenyl substituted
1,3,5,7,9,11,13,15-八苯基五环[9.5.1.13,9.15,15.17,13]八硅氧烷
八苯基-POSS®
八苯基八硅倍半氧烷
八苯基-POSS
CAS Number
5256-79-1
MDL Number
MFCD00308870
PubChem SID
24874584
162238968
PubChem CID
521391

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
526851 external link Add to cart Please log in.
Data Source Data ID
PubChem 521391 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 12  H Donor
LogD (pH = 5.5) 16.432  LogD (pH = 7.4) 16.432 
Log P 16.432  Molar Refractivity 219.9968 cm3
Polarizability 105.596855 Å3 Polar Surface Area 110.76 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>350 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Empirical Formula (Hill Notation)
C48H40O12Si8 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 526851 external link
Packaging
5, 25 g in glass bottle
Legal Information
POSS is a registered trademark of Hybrid Plastics, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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